2-azanyl-6-methyl-3-nitro-benzoic acid

Systemtic Name: 2-azanyl-6-methyl-3-nitro-benzoic acid Openeye Name: 2-amino-6-methyl-3-nitro-benzoic acid CAS Name: 2-amino-6-methyl-3-nitrobenzoic acid IUPAC Name: 2-amino-6-methyl-3-nitrobenzoic acid Traditional Name: 2-amino-6-methyl-3-nitro-benzoic acid Formula: C8H8N2O4 MolecularWeight: 196.16012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C8H8N2O4/c1-4-2-3-5(10(13)14)7(9)6(4)8(11)12/h2-3H,9H2,1H3,(H,11,12)